HRID186937

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID7237

o-Xylene

C8H10

结构：COc1ccc(P2(=S)SP(=S)(c3ccc(OC)cc3)S2)cc1

HCID87949

p-Anisyldithiophosphonic anhydride

C14H14O2P2S4

结构：COC(=O)C(Cc1ccc(-c2c(OC)cccc2OC)cc1)NC(=O)c1c(Cl)cccc1Cl

HCID178499786

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(Cc1ccc(-c2c(OC)cccc2OC)cc1)NC(=S)c1c(Cl)cccc1Cl

HCID178499787

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-edf2b4cc067440478d9b4c7fff33b4ba
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:1][O:2][C:3]([CH:4]([NH:5][C:6]([c:7]1[c:8]([Cl:14])[cH:9][cH:10][cH:11][c:12]1[Cl:13])=[O:15])[CH2:16][c:17]1[cH:18][cH:19][c:20](-[c:23]2[c:24]([O:31][CH3:32])[cH:25][cH:26][cH:27][c:28]2[O:29][CH3:30])[cH:21][cH:22]1)=[O:33].[CH3:34][O:35][c:36]1[cH:37][cH:38][c:39]([P:40]2(=[S:43])[S:41][P:42]([c:44]3[cH:45][cH:46][c:47]([O:48][CH3:49])[cH:50][cH:51]3)(=[S:52])[S:53]2)[cH:54][cH:55]1.[OH2:56].[c:57]1([CH3:58])[c:59]([CH3:60])[cH:61][cH:62][cH:63][cH:64]1>>[CH3:1][O:2][C:3]([CH:4]([NH:5][C:6]([c:7]1[c:8]([Cl:14])[cH:9][cH:10][cH:11][c:12]1[Cl:13])=[S:43])[CH2:16][c:17]1[cH:18][cH:19][c:20](-[c:23]2[c:24]([O:31][CH3:32])[cH:25][cH:26][cH:27][c:28]2[O:29][CH3:30])[cH:21][cH:22]1)=[O:33]